6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C12H14ClN5O — CID 106405659

IUPAC6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1ncon1
InChIInChI=1S/C12H14ClN5O/c1-7-10(13)16-12(8-2-3-8)17-11(7)14-5-4-9-15-6-19-18-9/h6,8H,2-5H2,1H3,(H,14,16,17)
InChIKeyWHOJQZUBSANPKS-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.35
Rot. Bonds5

About 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106405659) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106405659
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1c(Cl)nc(C2CC2)nc1NCCc1ncon1
InChIInChI=1S/C12H14ClN5O/c1-7-10(13)16-12(8-2-3-8)17-11(7)14-5-4-9-15-6-19-18-9/h6,8H,2-5H2,1H3,(H,14,16,17)
InChIKeyWHOJQZUBSANPKS-UHFFFAOYSA-N
XLogP2.35
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405726
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 106038646
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 114185577
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80971290
6-chloro-2-cyclopropyl-5-methyl-N-prop-2-ynylpyrimidin-4-amine
CID 106194712
2-cyclopropyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424259
3-[2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83112926
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80978050
6-chloro-2-cyclopropyl-5-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 80972164
6-chloro-2-cyclopropyl-5-methyl-N-(2H-tetrazol-5-ylmethyl)pyrimidin-4-amine
CID 106194508
6-chloro-2-cyclopropyl-5-methyl-N-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 113471962
3-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80978642

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106405659) is 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1c(Cl)nc(C2CC2)nc1NCCc1ncon1.
What is the InChIKey of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is WHOJQZUBSANPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7-10(13)16-12(8-2-3-8)17-11(7)14-5-4-9-15-6-19-18-9/h6,8H,2-5H2,1H3,(H,14,16,17).
What are the key properties of 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-5-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106405659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).